Compound Detail
CHEMBL4087516
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4087516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNEHLXCEEHUQLF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
12
PK Parameters
2
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
2.88
ALogP
4
HBA
1
HBD
82.8
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Solute carrier family 22 member 12 CHEMBL6120 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 6400.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 2400.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 6.8 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 916.62 | nM | Rattus norvegicus |
| Cmax | 7944.03 | nM | Rattus norvegicus |
| F | 27.0 | % | Rattus norvegicus |
| MRT | 5.2 | hr | Rattus norvegicus |
| MRT | 1.9 | hr | Rattus norvegicus |
| T1/2 | 4.4 | hr | Rattus norvegicus |
| T1/2 | 4.1 | hr | Rattus norvegicus |
| Tmax | 0.9 | hr | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Solute carrier family 22 member 12 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human URAT1 expressed in HEK293T cells assessed as reduction in [1... | 28351592 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28351592 | 10.1016/j.bmcl.2017.03.041 | Rattus norvegicus | 13 |
| 28351592 | 10.1016/j.bmcl.2017.03.041 | Solute carrier family 22 member 12 | 1 |
Data from ChEMBL 36 via Core Engine